3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile

Modify Date: 2025-09-27 14:48:22

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure
3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile structure
Common Name 3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile
CAS Number 5415-11-2 Molecular Weight 251.28000
Density 1.161g/cm3 Boiling Point 437.7ºC at 760 mmHg
Molecular Formula C16H13NO2 Melting Point N/A
MSDS N/A Flash Point 191.1ºC

 Names

Name 3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.161g/cm3
Boiling Point 437.7ºC at 760 mmHg
Molecular Formula C16H13NO2
Molecular Weight 251.28000
Flash Point 191.1ºC
Exact Mass 251.09500
PSA 50.09000
LogP 3.18528
Index of Refraction 1.58
InChIKey AEOQCFBLOHGDLR-UHFFFAOYSA-N
SMILES COc1ccc(C(=O)C(C#N)c2ccccc2)cc1

 Safety Information

HS Code 2926909090

 Synthetic Route

~59%

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure

3-(4-methoxyphe...

CAS#:5415-11-2

Literature: Gao, Yang; Wang, Hui; Xu, Minghua; Lian, Hongzhen; Pan, Yi; Shi, Yaozeng Organic Preparations and Procedures International, 2001 , vol. 33, # 4 p. 351 - 356

~74%

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure

3-(4-methoxyphe...

CAS#:5415-11-2

Literature: Kayaleh, Nadim E.; Gupta, Ramesh C.; Johnson, Francis Journal of Organic Chemistry, 2000 , vol. 65, # 15 p. 4515 - 4522

~%

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure

3-(4-methoxyphe...

CAS#:5415-11-2

Literature: Takagi; Yasuda Yakugaku Zasshi, 1959 , vol. 79, p. 467,469 Chem.Abstr., 1959 , p. 18003

~%

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure

3-(4-methoxyphe...

CAS#:5415-11-2

Literature: Takagi; Yasuda Yakugaku Zasshi, 1959 , vol. 79, p. 467,469 Chem.Abstr., 1959 , p. 18003

~%

3-(4-methoxyphenyl)-3-oxo-2-phenyl-propanenitrile Structure

3-(4-methoxyphe...

CAS#:5415-11-2

Literature: Takagi; Yasuda Yakugaku Zasshi, 1959 , vol. 79, p. 467,469 Chem.Abstr., 1959 , p. 18003

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-(4-methoxy-phenyl)-3-oxo-3-phenyl-propionitrile
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